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Marking answers for solved issues

Last post by pouillon « Fri Aug 09, 2013 12:56 pm
Posted in Configuring and compiling ABINIT

by pouillon » Fri Aug 09, 2013 12:56 pm » in Configuring and compiling ABINIT
This topic was posted 4060 days ago

0 Replies

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Last post by pouillon
Fri Aug 09, 2013 12:56 pm

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Can Abinit perform electron transport calculations [SOLVED]

Last post by saikrishna « Thu Mar 12, 2020 8:54 am
Replies: 4
by Seba Darshan » Tue Nov 10, 2015 11:28 am
This topic was posted 3237 days ago

4 Replies

11824 Views

Last post by saikrishna
Thu Mar 12, 2020 8:54 am
problem with paw input files

Last post by ebousquet « Tue Mar 03, 2020 4:53 pm
Replies: 4
by abgs01 » Tue Dec 10, 2019 1:41 pm
This topic was posted 1746 days ago

4 Replies

4456 Views

Last post by ebousquet
Tue Mar 03, 2020 4:53 pm
DFPT phonon with soc problem:rhoijim must be allocated!

Last post by andyamygto « Wed Feb 26, 2020 3:20 am
Replies: 30
by onion2440 » Tue Jul 30, 2019 10:33 am
1

2
This topic was posted 1879 days ago
30 Replies

72596 Views

Last post by andyamygto
Wed Feb 26, 2020 3:20 am
input variables

Last post by Olivier.5590 « Sat Nov 30, 2019 3:21 pm
Replies: 6
by saikrishna » Fri Jun 21, 2019 12:19 pm
This topic was posted 1918 days ago

6 Replies

4828 Views

Last post by Olivier.5590
Sat Nov 30, 2019 3:21 pm
Big difference for Fermi energy between Abinit and VASP

Last post by NPike « Sun Oct 27, 2019 9:25 pm
Replies: 2
by onion2440 » Fri Aug 09, 2019 4:11 pm
This topic was posted 1869 days ago

2 Replies

3929 Views

Last post by NPike
Sun Oct 27, 2019 9:25 pm
Pseudopotential for Pr element with f orbital forzen at core

Last post by ebousquet « Sat Oct 26, 2019 9:39 pm
Replies: 1
by sbphys » Tue Sep 17, 2019 10:44 pm
This topic was posted 1830 days ago

1 Replies

2498 Views

Last post by ebousquet
Sat Oct 26, 2019 9:39 pm
Pr pseudopotential with f state forzen in core

Last post by sbphys « Fri Sep 13, 2019 5:47 pm

by sbphys » Fri Sep 13, 2019 5:47 pm
This topic was posted 1834 days ago

0 Replies

2933 Views

Last post by sbphys
Fri Sep 13, 2019 5:47 pm
input file

Last post by hameed1987 « Tue Jul 23, 2019 12:44 pm
Replies: 2
by hameed1987 » Mon Jul 15, 2019 8:44 pm
This topic was posted 1894 days ago

2 Replies

2770 Views

Last post by hameed1987
Tue Jul 23, 2019 12:44 pm
surface energy

Last post by saikrishna « Thu Jul 11, 2019 10:28 am

by saikrishna » Thu Jul 11, 2019 10:28 am
This topic was posted 1898 days ago

0 Replies

2732 Views

Last post by saikrishna
Thu Jul 11, 2019 10:28 am
How to get the Hartwigsen-Goedecker-Hutter pseudopotentials [SOLVED]

Last post by ebousquet « Fri Apr 26, 2019 7:59 am
Replies: 1
by jlwindy » Thu Apr 18, 2019 7:01 am
This topic was posted 1982 days ago

1 Replies

4223 Views

Last post by ebousquet
Fri Apr 26, 2019 7:59 am
Problem running PAW with HF exchange / hybrid functional

Last post by clickerheroesgame « Fri Apr 19, 2019 6:31 am
Replies: 2
by cgs12 » Fri Aug 11, 2017 8:19 pm
This topic was posted 2597 days ago

2 Replies

4987 Views

Last post by clickerheroesgame
Fri Apr 19, 2019 6:31 am
Pseudopotentials

Last post by ebousquet « Thu Apr 04, 2019 6:09 pm
Replies: 1
by wlsong » Wed Apr 03, 2019 10:52 am
This topic was posted 1997 days ago

1 Replies

2617 Views

Last post by ebousquet
Thu Apr 04, 2019 6:09 pm
low ecut for Cu, H, C, N, O

Last post by ebousquet « Fri Mar 01, 2019 4:59 pm
Replies: 1
by mdsimulationgroup » Fri Mar 01, 2019 2:59 pm
This topic was posted 2030 days ago

1 Replies

2928 Views

Last post by ebousquet
Fri Mar 01, 2019 4:59 pm
pw_ecut in JTH PAW dataset

Last post by ryne60 « Fri Dec 21, 2018 9:16 am

by ryne60 » Fri Dec 21, 2018 9:16 am
This topic was posted 2100 days ago

0 Replies

3395 Views

Last post by ryne60
Fri Dec 21, 2018 9:16 am
--- !BUG src_file: m_paw_finegrid.F90 src_line: 142 mpi_rank

Last post by torrent « Fri Dec 14, 2018 6:06 pm
Replies: 1
by pauwawa87 » Mon Dec 10, 2018 8:00 am
This topic was posted 2111 days ago

1 Replies

2582 Views

Last post by torrent
Fri Dec 14, 2018 6:06 pm
Relate to the PhonTS: second and third force in DFPT?

Last post by onion2440 « Sat Dec 01, 2018 2:28 am

by onion2440 » Sat Dec 01, 2018 2:28 am
This topic was posted 2120 days ago

0 Replies

3408 Views

Last post by onion2440
Sat Dec 01, 2018 2:28 am
Parameter disagreement [SOLVED]

Last post by woffermans « Thu Nov 15, 2018 12:55 pm
Replies: 2
by woffermans » Tue Nov 06, 2018 9:31 am
This topic was posted 2145 days ago

2 Replies

4379 Views

Last post by woffermans
Thu Nov 15, 2018 12:55 pm
PAW dataset and spin polarized calculations [SOLVED]

Last post by rajaraman « Sat Oct 27, 2018 12:25 pm
Replies: 3
by rajaraman » Sun Sep 23, 2018 8:26 am
This topic was posted 2189 days ago

3 Replies

5383 Views

Last post by rajaraman
Sat Oct 27, 2018 12:25 pm
fully-relativistic PP generation using ATOMIC. [SOLVED]

Last post by jbeuken « Wed Aug 15, 2018 11:11 am
Replies: 8
by jiayudai » Wed Dec 07, 2016 7:12 pm
This topic was posted 2844 days ago

8 Replies

37800 Views

Last post by jbeuken
Wed Aug 15, 2018 11:11 am
problem reading xml ONCV PSPs in abinit-8.8.2?

Last post by setten « Wed Aug 15, 2018 10:06 am
Replies: 2
by sartyukhin » Sun Jun 03, 2018 5:23 am
This topic was posted 2301 days ago

2 Replies

5487 Views

Last post by setten
Wed Aug 15, 2018 10:06 am
Relativistic pseudopotentials and PAW datasets up to Z=118 ?

Last post by setten « Wed Aug 15, 2018 9:59 am
Replies: 1
by miro_ilias » Thu Jul 19, 2018 8:29 pm
This topic was posted 2255 days ago

1 Replies

2890 Views

Last post by setten
Wed Aug 15, 2018 9:59 am
Advance Research areas using Abinit

Last post by Arunachalam « Fri Jun 15, 2018 6:48 am

by Arunachalam » Fri Jun 15, 2018 6:48 am
This topic was posted 2289 days ago

0 Replies

2928 Views

Last post by Arunachalam
Fri Jun 15, 2018 6:48 am
Pseudopotentials and alchemy [SOLVED]

Last post by Nahasamapetilah « Fri May 11, 2018 10:24 am
Replies: 4
by Nahasamapetilah » Wed May 02, 2018 6:11 pm
This topic was posted 2333 days ago

4 Replies

5943 Views

Last post by Nahasamapetilah
Fri May 11, 2018 10:24 am
PAW bands calculation stops writing [SOLVED]

Last post by Nahasamapetilah « Thu Apr 19, 2018 2:18 pm
Replies: 2
by Nahasamapetilah » Tue Apr 17, 2018 2:15 pm
This topic was posted 2348 days ago

2 Replies

4659 Views

Last post by Nahasamapetilah
Thu Apr 19, 2018 2:18 pm
MettaGGA functionals and associated pseudopotentials

Last post by Hola « Tue Apr 03, 2018 12:01 pm

by Hola » Tue Apr 03, 2018 12:01 pm
This topic was posted 2362 days ago

0 Replies

2482 Views

Last post by Hola
Tue Apr 03, 2018 12:01 pm

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